3-[3-(2-azanylidene-3-methyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(2-azanylidene-3-methyl-1,3-benzothiazol-6-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid CAS Name: 3-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(2-imino-3-methyl-1,3-benzothiazol-6-yl)phenyl]propionic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4)SC1=N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4)SC1=N

InChI

InChI=1S/C23H26N2O3S/c1-25-19-9-8-17(13-21(19)29-23(25)24)18-12-15(7-11-22(26)27)6-10-20(18)28-14-16-4-2-3-5-16/h6,8-10,12-13,16,24H,2-5,7,11,14H2,1H3,(H,26,27)